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Fluorine in PDB 5rwr: INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434783

Enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434783

All present enzymatic activity of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434783:
3.1.3.36; 3.1.3.56; 3.1.3.86;

Protein crystallography data

The structure of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434783, PDB code: 5rwr was solved by W.J.Bradshaw, J.A.Newman, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.45 / 1.43
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.805, 79.389, 89.702, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 20

Fluorine Binding Sites:

The binding sites of Fluorine atom in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434783 (pdb code 5rwr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434783, PDB code: 5rwr:

Fluorine binding site 1 out of 1 in 5rwr

Go back to Fluorine Binding Sites List in 5rwr
Fluorine binding site 1 out of 1 in the INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434783


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of INPP5D Pandda Analysis Group Deposition -- Crystal Structure of the Phosphatase and C2 Domains of SHIP1 in Complex with Z2856434783 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:26.0
occ:0.69
 F1 A:O3G901 0.0 26.0 0.7
C1 A:O3G901 1.4 22.2 0.7
C14 A:O3G901 2.4 22.5 0.7
C2 A:O3G901 2.4 20.8 0.7
CB A:LYS477 3.0 18.0 1.0
CG2 A:VAL479 3.4 12.7 1.0
O A:LYS477 3.5 15.6 1.0
C A:LYS477 3.5 15.4 1.0
C A:THR478 3.5 15.7 1.0
O A:THR478 3.6 16.9 1.0
N A:VAL479 3.6 12.4 1.0
C13 A:O3G901 3.6 22.1 0.7
C3 A:O3G901 3.6 21.4 0.7
CA A:VAL479 3.8 12.8 1.0
N A:THR478 3.9 14.9 1.0
CA A:LYS477 3.9 15.2 1.0
CG A:LYS477 4.1 22.3 1.0
C4 A:O3G901 4.1 21.4 0.7
CB A:VAL479 4.2 12.3 1.0
CA A:THR478 4.3 14.5 1.0
CB A:ALA493 4.5 14.0 1.0
CG A:GLU498 4.7 19.9 1.0
CB A:GLU498 4.7 17.3 1.0
N A:ALA493 4.8 12.3 1.0
CA A:GLU498 4.8 16.8 1.0
N A:LYS477 4.9 14.2 1.0
O A:ALA493 4.9 13.6 1.0

Reference:

W.J.Bradshaw, J.A.Newman, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi. INPP5D Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 14:00:36 2024

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